5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C19H20O6 — CID 168600065

IUPAC5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESC=CCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(OCC=C)c1
InChIInChI=1S/C19H20O6/c1-5-9-22-14-8-7-13(16(12-14)23-10-6-2)11-15-17(20)24-19(3,4)25-18(15)21/h5-8,11-12H,1-2,9-10H2,3-4H3
InChIKeyLLRVKCPTLFISKM-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.04
Rot. Bonds7

About 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 168600065) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID168600065
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESC=CCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(OCC=C)c1
InChIInChI=1S/C19H20O6/c1-5-9-22-14-8-7-13(16(12-14)23-10-6-2)11-15-17(20)24-19(3,4)25-18(15)21/h5-8,11-12H,1-2,9-10H2,3-4H3
InChIKeyLLRVKCPTLFISKM-UHFFFAOYSA-N
XLogP3.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-5-methoxyphenoxy]acetonitrile
CID 168600189
2,2-dimethyl-5-[(2-methyl-4-phenylmethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 168598441
5-[[2-(2-hydroxyethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600128
3-[(2-ethoxyphenyl)methylidene]-6-prop-2-enoxy-1H-indol-2-one
CID 72985927
5-[(5-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600062
2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 2733006
5-[(5-chloro-2-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600129
5-[(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599354
5-[(2-hydroxy-4-propan-2-yloxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599031
1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 4575750
5-[[2-(3-methoxyphenoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598306
2,2-dimethyl-5-[[5-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168597904

Frequently Asked Questions

What is the IUPAC name of 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 168600065) is 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is C=CCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(OCC=C)c1.
What is the InChIKey of 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is LLRVKCPTLFISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-5-9-22-14-8-7-13(16(12-14)23-10-6-2)11-15-17(20)24-19(3,4)25-18(15)21/h5-8,11-12H,1-2,9-10H2,3-4H3.
What are the key properties of 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 344.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168600065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).